CID 58295

101398-72-5

Structural Information

Molecular Formula
C18H21N3S
SMILES
CN(C)C=NCCCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C18H21N3S/c1-20(2)14-19-12-7-13-21-15-8-3-5-10-17(15)22-18-11-6-4-9-16(18)21/h3-6,8-11,14H,7,12-13H2,1-2H3
InChIKey
REVNXYBELUTYOL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-(3-phenothiazin-10-ylpropyl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14563 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15291 170.1
[M+Na]+ 334.13485 176.6
[M-H]- 310.13835 175.7
[M+NH4]+ 329.17945 186.8
[M+K]+ 350.10879 171.8
[M+H-H2O]+ 294.14289 161.1
[M+HCOO]- 356.14383 187.6
[M+CH3COO]- 370.15948 180.9
[M+Na-2H]- 332.12030 175.9
[M]+ 311.14508 173.6
[M]- 311.14618 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.